CHEBI:17612 - (3,4-dihydroxyphenyl)acetate

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ChEBI Name (3,4-dihydroxyphenyl)acetate
ChEBI ID CHEBI:17612
Definition A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11697, CHEBI:11696, CHEBI:19889
Supplier Information
Download Molfile XML SDF
Formula C8H7O4
Net Charge -1
Average Mass 167.13878
Monoisotopic Mass 167.034
InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1
InChIKey CFFZDZCDUFSOFZ-UHFFFAOYSA-M
SMILES Oc1ccc(CC([O-])=O)cc1O
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing (3,4-dihydroxyphenyl)acetate (CHEBI:17612) has functional parent phenylacetate (CHEBI:18401)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) has role human metabolite (CHEBI:77746)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) is conjugate base of (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941)
Incoming (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) is conjugate acid of (3,4-dihydroxyphenyl)acetate (CHEBI:17612)
IUPAC Name
(3,4-dihydroxyphenyl)acetate
Synonyms Sources
3,4-dihydroxyphenylacetate UniProt
homoprotocatechuate ChEBI
Database Links Databases
C01161 KEGG COMPOUND
c0272 UM-BBD
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Last Modified
11 July 2014